(1S,5R)-3-[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(1S,5R)-3-[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(1S,5R)-3-[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y041-8152 |
| Compound Name: | (1S,5R)-3-[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 445.34 |
| Molecular Formula: | C19 H17 Br N4 O2 S |
| Smiles: | C1[C@H]2CN(C[C@@H]1CN1C2=CC=CC1=O)C(c1cc(c2ccc(s2)[Br])[nH]n1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.8573 |
| logD: | 3.8572 |
| logSw: | -4.1162 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.094 |
| InChI Key: | ZIWPNTSPVDDRIP-RYUDHWBXSA-N |